Dataset

Piroxicam; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO001668 contains the MS2 mass spectrum of Piroxicam with the InChIkey QYSPLQLAKJAUJT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
SMILES c(c3)cnc(c3)NC(=O)C(=C(O)1)N(C)S(=O)(=O)c(c2)c(ccc2)1
InChI Key QYSPLQLAKJAUJT-UHFFFAOYSA-N
Molecular Formula C15H13N3O4S
Exact Mass 331.063 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO001668
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    593185 eMolecules
    J3.498C Nikkaji
    7273 Guide to Pharmacology
    2210 DrugCentral
    DTXSID5021170 EPA CompTox Dashboard
    HY-B0253 MedChemExpress
    PIROXICAM BETADEX clinicaltrials
    PIROXICAM clinicaltrials
    CP-16,171 clinicaltrials
    CP-16171 clinicaltrials
    FELDENE clinicaltrials
    FELDENE rxnorm
    PIROXICAM DailyMed
    PIROXICAM-BETA-CYCLODEXTRIN rxnorm
    PIROXICAM rxnorm
    85245 BindingDB
    BIYSEH CCDC
    CHEMBL527 ChEMBL
    8249 ChEBI
    12013846 PubChem: Drugs of the Future
    C01608 KEGG Ligand
    HMDB0014694 Human Metabolome Database
    piroxicam DailyMed
    CB1375282 ChemicalBook
    MTBLC8249 Metabolights
    4121 Brenda
    ZINC000051133897 ZINC
    SCHEMBL13462 SureChEMBL
    MCULE-1939282084 Mcule
    54676228 PubChem
    PD001795 ProbesDrugs
    BREXIDOL clinicaltrials
    DB00554 DrugBank
    14924343 PubChem: Thomson Pharma
    36322-90-4 ACToR
    Piroxicam(Feldene) Selleck
    13T4O6VMAM FDA SRS
    The data in this table is sourced from UniChem at EBI.